KEGG   COMPOUND: C02090Help
Entry
C02090                      Compound                               

Name
Trypanothione;
N1,N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine;
N1,N8-Bis(glutathionyl)spermidine;
Reduced trypanothione
Formula
C27H49N9O10S2
Exact mass
723.3044
Mol weight
723.8623
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Glutathione metabolism
Metabolic pathways
Enzyme
1.8.1.12        1.11.1.15       1.17.4.1        3.5.1.-         
6.3.1.9
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        48
            1   C1c C    28.7219  -18.1880
            2   N1b N    27.5064  -18.8864
            3   C5a C    28.7219  -16.7851
            4   C1b C    29.9362  -18.8864
            5   C5a C    26.2978  -18.1880
            6   N1b N    29.9362  -16.0867
            7   O5a O    27.5064  -16.0867
            8   S1a S    31.1461  -18.1880
            9   C1b C    25.0821  -18.8864
            10  O5a O    26.2978  -16.7851
            11  C1b C    31.1461  -16.7851
            12  S1a S    31.1461  -20.9817
            13  C1b C    23.8736  -18.1880
            14  C5a C    32.3604  -16.0867
            15  C1b C    29.9362  -20.2834
            16  C1c C    22.6579  -18.8864
            17  N1b N    33.5704  -16.7851
            18  O5a O    32.3604  -14.6838
            19  C1c C    28.7219  -20.9817
            20  C6a C    21.4434  -18.1880
            21  N1a N    22.6579  -20.2834
            22  C1b C    34.7847  -16.0867
            23  N1b N    27.5064  -20.2834
            24  C5a C    28.7219  -22.3846
            25  O6a O    20.2408  -18.8864
            26  O6a O    21.4434  -16.7851
            27  C1b C    36.0002  -16.7851
            28  C5a C    26.2978  -20.9817
            29  N1b N    29.9362  -23.0830
            30  O5a O    27.5064  -23.0830
            31  C1b C    36.0002  -18.1880
            32  C1b C    26.2978  -22.3846
            33  O5a O    25.0821  -20.2834
            34  C1b C    31.1461  -22.3846
            35  C1b C    37.2030  -18.8864
            36  C1b C    25.0821  -23.0830
            37  C5a C    32.3604  -23.0830
            38  N1b N    37.2030  -20.2834
            39  C1c C    25.0821  -24.4917
            40  N1b N    33.5704  -22.3846
            41  O5a O    32.3604  -24.4917
            42  C1b C    36.0002  -20.9817
            43  C6a C    23.8736  -25.1902
            44  N1a N    26.2978  -25.1902
            45  C1b C    34.7847  -23.0830
            46  C1b C    36.0002  -22.3846
            47  O6a O    22.6579  -24.4917
            48  O6a O    23.8736  -26.5872
BOND        47
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    9  13 1
            12   11  14 1
            13   12  15 1
            14   13  16 1
            15   14  17 1
            16   14  18 2
            17   15  19 1
            18   16  20 1
            19   16  21 1 #Down
            20   17  22 1
            21   19  23 1 #Up
            22   19  24 1
            23   20  25 1
            24   20  26 2
            25   22  27 1
            26   23  28 1
            27   24  29 1
            28   24  30 2
            29   27  31 1
            30   28  32 1
            31   28  33 2
            32   29  34 1
            33   31  35 1
            34   32  36 1
            35   34  37 1
            36   35  38 1
            37   36  39 1
            38   37  40 1
            39   37  41 2
            40   38  42 1
            41   39  43 1
            42   39  44 1 #Down
            43   40  45 1
            44   42  46 1
            45   43  47 1
            46   43  48 2
            47   45  46 1

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